(2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite

C10H5ClIN3S2 — CID 143790368

IUPAC(2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite
SMILESClc1nc(-c2cccs2)c2ccn(SI)c2n1
InChIInChI=1S/C10H5ClIN3S2/c11-10-13-8(7-2-1-5-16-7)6-3-4-15(17-12)9(6)14-10/h1-5H
InChIKeyGULDHKUHMVJGAX-UHFFFAOYSA-N
MW393.66 g/mol
LogP4.66
Rot. Bonds2

About (2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite

(2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite (PubChem CID 143790368) has the molecular formula C10H5ClIN3S2 and a molecular weight of 393.66 g/mol. Its IUPAC name is (2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite.

Molecular Properties

Compound Name(2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite
PubChem CID143790368
Molecular FormulaC10H5ClIN3S2
Molecular Weight393.66 g/mol
Exact Mass392.87
IUPAC Name(2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite
SMILESClc1nc(-c2cccs2)c2ccn(SI)c2n1
InChIInChI=1S/C10H5ClIN3S2/c11-10-13-8(7-2-1-5-16-7)6-3-4-15(17-12)9(6)14-10/h1-5H
InChIKeyGULDHKUHMVJGAX-UHFFFAOYSA-N
XLogP4.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.66
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite?
The IUPAC name of (2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite (CID 143790368) is (2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite.
What is the SMILES notation for (2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite?
The canonical SMILES for (2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite is Clc1nc(-c2cccs2)c2ccn(SI)c2n1.
What is the InChIKey of (2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite?
The InChIKey is GULDHKUHMVJGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClIN3S2/c11-10-13-8(7-2-1-5-16-7)6-3-4-15(17-12)9(6)14-10/h1-5H.
What are the key properties of (2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite?
(2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite has a molecular weight of 393.66 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl) thiohypoiodite is sourced from PubChem (CID 143790368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).